(1R,2S,5R)-2-((4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one

SpectraBase Compound ID	7Q2AUYmfSkp
InChI	InChI=1S/C18H15F3N2O4S/c1-25-10-4-2-3-9(5-10)11-6-15(18(19,20)21)23-17(22-11)28-14-7-12(24)16-26-8-13(14)27-16/h2-6,13-14,16H,7-8H2,1H3/t13-,14+,16-/m1/s1
InChIKey	BOIQZGSNLVRFNN-IJEWVQPXSA-N Google Search
Mol Weight	412.38 g/mol
Molecular Formula	C18H15F3N2O4S
Exact Mass	412.070463 g/mol

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SpectraBase Spectrum ID	FbrifnqBhvn
Name	2-[[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H15F3N2O4S
InChI	InChI=1S/C18H15F3N2O4S/c1-25-10-4-2-3-9(5-10)11-6-15(18(19,20)21)23-17(22-11)28-14-7-12(24)16-26-8-13(14)27-16/h2-6,13-14,16H,7-8H2,1H3/t13-,14+,16-/m1/s1
InChIKey	BOIQZGSNLVRFNN-IJEWVQPXSA-N
Molecular Weight	412.383 g/mol
SMILES	c1(nc(C(F)(F)F)cc(n1)-c1cc(OC)ccc1)S[C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H]
SPLASH	splash10-000b-9331000000-ca8a7a0c63624026d030
Synonyms	2-[[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID	1464167